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Ganglioside GD1a alpha (d18:1(4E)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))

PropertiesImageOccurences in reactions
MNX_IDMNXM522729Image of MNXM522729
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC100H166N4O39
charge-2
mass2047.11402
referenceslm:000486176
InChIKeyIPHXYRRIYXMVPR-KDJIFSGVSA-L
InChIInChI=1S/C100H168N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-74(118)104-64(65(113)50-48-46-44-42-40-38-19-17-15-13-11-9-7-2)59-132-94-84(125)82(123)88(71(57-108)135-94)139-95-85(126)83(124)87(72(58-109)136-95)138-93-77(103-63(5)112)89(81(122)73(137-93)60-133-99(97(128)129)52-66(114)75(101-61(3)110)90(141-99)78(119)68(116)54-105)140-96-86(127)92(80(121)70(56-107)134-96)143-100(98(130)131)53-67(115)76(102-62(4)111)91(142-100)79(120)69(117)55-106/h8,10,14,16,20-21,23-24,26-27,29-30,48,50,64-73,75-96,105-109,113-117,119-127H,6-7,9,11-13,15,17-19,22,25,28,31-47,49,51-60H2,1-5H3,(H,101,110)(H,102,111)(H,103,112)(H,104,118)(H,128,129)(H,130,131)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,30-29-,50-48+/t64-,65+,66-,67-,68+,69+,70+,71+,72+,73+,75+,76+,77+,78+,79+,80-,81-,82+,83+,84+,85+,86+,87-,88+,89+,90+,91+,92-,93-,94+,95-,96-,99+,100-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
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Similar chemical compounds in external resources
IdentifierDescription
SLM:000486176
slm:000486176
Ganglioside GD1a alpha (d18:1(4E)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))
GD1a alpha(d18:1(4E)/34:6(16Z,19Z,22Z,25Z,28Z,31Z))
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(16Z,19Z,22Z,25Z,28Z,31Z-tetratriacontahexaenoyl)-sphing-4-enine